5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine

C10H19FN4 — CID 19911913

IUPAC5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCCC(CC)(CCCF)c1nc(N)n[nH]1
InChIInChI=1S/C10H19FN4/c1-3-10(4-2,6-5-7-11)8-13-9(12)15-14-8/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyKDJVVXHCWYLBSS-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.19
Rot. Bonds6

About 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine

5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 19911913) has the molecular formula C10H19FN4 and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID19911913
Molecular FormulaC10H19FN4
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCCC(CC)(CCCF)c1nc(N)n[nH]1
InChIInChI=1S/C10H19FN4/c1-3-10(4-2,6-5-7-11)8-13-9(12)15-14-8/h3-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyKDJVVXHCWYLBSS-UHFFFAOYSA-N
XLogP2.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine (CID 19911913) is 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine is CCC(CC)(CCCF)c1nc(N)n[nH]1.
What is the InChIKey of 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is KDJVVXHCWYLBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN4/c1-3-10(4-2,6-5-7-11)8-13-9(12)15-14-8/h3-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine?
5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 214.29 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 19911913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).